Difference between revisions of "Raw Copy"
From Open Babel
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|import=No | |import=No | ||
|export=Yes | |export=Yes | ||
| − | |version= | + | |version=2.0.0 and later |
|dimensionality=3D | |dimensionality=3D | ||
|options= | |options= | ||
Revision as of 12:33, 30 January 2006
| Filename Extensions | copy |
|---|---|
| Chemical MIME Type | Undefined |
| Specification URL | http://openbabel.sourceforge.net/wiki/Raw_Copy |
| Import | No |
| Export | Yes |
| Open Babel Version | 2.0.0 and later |
Options
Objects can be chemically filtered without the risk of losing any additional information they contain, since no format conversion is done. Note that XML files may be missing non-object elements at the start or end and so may no longer be well-formed.
Additional Comments
Example
Extract only structures that include at least one aromatic carbon (by matching the SMARTS pattern '[c]')
babel -s '[c]' database.sdf -ocopy new.sd
